SCHEMBL3709076

SCHEMBL3709076

NC(=O)c1cccc(C(=O)c2c[nH]c3ncccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 3/20 0.63
▸ CAMKK2 Q96RR4 2/20 0.55
▸ MAP2K1 Q02750 1/20 0.53
▸ PRKCI P41743 1/20 0.53
▸ CDC7 O00311 3/20 0.47
▸ KDR P35968 2/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ MAPK13 O15264 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ RPS6KA5 O75582 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ EGFR P00533 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL856986 0.87 NEK2 (0.60) NEK2CAMKK2MAP2K1PRKCICDC7
SCHEMBL857000 0.85 NEK2 (0.58) NEK2CAMKK2MAP2K1CDC7KDR
SCHEMBL15282974 0.85 NEK2 (0.59) NEK2CAMKK2MAP2K1PRKCIKDR
SCHEMBL858554 0.84 NEK2 (0.57) NEK2CAMKK2MAP2K1CDC7KDR
SCHEMBL878800 0.84 NEK2 (0.57) NEK2CAMKK2MAP2K1CDC7KDR
SCHEMBL878719 0.83 MAP2K1 (0.61) NEK2CAMKK2MAP2K1KDRCDK2
SCHEMBL3699180 0.83 DYRK1A (0.58) NEK2PRKCICDC7KDRPIM1
SCHEMBL3711232 0.83 CAMKK2 (0.54) NEK2CAMKK2MAP2K1PRKCICDC7
SCHEMBL12675734 0.82 NEK2 (0.76) NEK2CAMKK2MAP2K1PRKCICDC7
SCHEMBL1907324 0.82 NEK2 (0.67) NEK2CAMKK2MAP2K1CDC7KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF NEK2 949/4885CAMKK2 497/4885MAP2K1 131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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